hi,
using OB I've encountered some rather unexpected behavior whentrying to use the
--canonical flag: If I apply the babel (or obabel) command with the --canonical
flag repeatedly to the same structure I get different results
e.g., if i start with a molecule can-gefitinib.xyz a small molecule d
> I tried this with mdl mol files and here the result is as expected (all files
> identical),
> so this might occur with xyz files only, but since no warning is issued when
> combining
> xyz files and the --canonical flag this is rather dangerous..
I'm not sure where you would give such a warni
